N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylcarbonyl)benzamide

Systemtic Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylcarbonyl)benzamide Openeye Name: 4-benzoyl-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-benzoyl-N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-benzoyl-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-benzoyl-N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C26H24N2O2S2 MolecularWeight: 460.61096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)S2)CCSC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)S2)CCSC

InChI

InChI=1S/C26H24N2O2S2/c1-3-18-9-14-22-23(17-18)32-26(28(22)15-16-31-2)27-25(30)21-12-10-20(11-13-21)24(29)19-7-5-4-6-8-19/h4-14,17H,3,15-16H2,1-2H3